N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 114632488

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-13(2)10(18)7-11(13)19-12(20)8-4-3-5-9(6-8)14(15,16)17/h3-6,10-11H,7,18H2,1-2H3,(H,19,20)
InChIKeyONGWBHBYYQWDPC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.56
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide

N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide (PubChem CID 114632488) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
PubChem CID114632488
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
SMILESCC1(C)C(N)CC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-13(2)10(18)7-11(13)19-12(20)8-4-3-5-9(6-8)14(15,16)17/h3-6,10-11H,7,18H2,1-2H3,(H,19,20)
InChIKeyONGWBHBYYQWDPC-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide (CID 114632488) is N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide is CC1(C)C(N)CC1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ONGWBHBYYQWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-13(2)10(18)7-11(13)19-12(20)8-4-3-5-9(6-8)14(15,16)17/h3-6,10-11H,7,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114632488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).